SCHEMBL2227986

SCHEMBL2227986

CC(C)n1cc(-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c2ccncc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 3/20 0.54
▸ CDK9 P50750 3/20 0.54
▸ JAK2 O60674 4/20 0.53
▸ CAMK2D Q13557 1/20 0.53
▸ CDK2 P24941 7/20 0.52
▸ CCNE1 P24864 3/20 0.52
▸ FLT3 P36888 3/20 0.52
▸ JAK3 P52333 1/20 0.49
▸ CDK1 P06493 2/20 0.48
▸ CCNB1 P14635 1/20 0.48
▸ CDK7 P50613 1/20 0.48
▸ CCNH P51946 1/20 0.48
▸ MNAT1 P51948 1/20 0.48
▸ DYRK3 O43781 1/20 0.47
▸ IGF1R P08069 1/20 0.47
▸ CLK1 P49759 1/20 0.47
▸ CLK2 P49760 1/20 0.47
▸ CDK5 Q00535 1/20 0.47
▸ DYRK1A Q13627 1/20 0.47
▸ CDK5R1 Q15078 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2228958 0.91 CDK2 (0.64) CCNT1CDK9JAK2CDK2CCNE1
SCHEMBL12444986 0.90 CDK2 (0.58) CCNT1CDK9JAK2CAMK2DCDK2
SCHEMBL2544927 0.86 JAK2 (0.56) JAK2CAMK2DCDK2CCNE1FLT3
SCHEMBL13425095 0.84 ABL1 (0.55) CCNT1CDK9CAMK2DCDK2CCNE1
SCHEMBL2227684 0.83 CDK2 (0.52) CCNT1CDK9JAK2CDK2FLT3
SCHEMBL2227344 0.83 DYRK1A (0.57) CCNT1CDK9CAMK2DCDK2CDK1
SCHEMBL2226553 0.82 MKNK1 (0.49) CCNT1CDK9CAMK2DCDK2CCNE1
SCHEMBL2229592 0.82 MKNK1 (0.49) CCNT1CDK9CDK2CCNE1FLT3
SCHEMBL2227731 0.82 MKNK1 (0.51) CCNT1CDK9CDK2CCNE1FLT3
SCHEMBL2226903 0.82 ABL1 (0.53) CDK9CAMK2DCDK2DYRK1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183975-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY GOTO YASUHIRO 2011-07-28 — — US disclosed
US-20110183975-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY GOTO YASUHIRO 2011-07-28 — — US disclosed
US-20110183975-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY GOTO YASUHIRO 2011-07-28 — — US disclosed
WO-2010042337-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-04-15 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110183975-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY BRIX1, REL, CNKSR1 CCNT1 299/4885CDK9 428/4885JAK2 708/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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